1-Butanol → HCID 178463439, compound
Reaction equation
[CH2:40]([OH:41])[CH2:42][CH2:43][CH3:44].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:12][c:13]1[n:14][cH:15][c:16]([N+:28](=[O:29])[O-:30])[c:17]([NH:19][c:20]2[n:21][nH:22][c:23]([CH:25]3[CH2:26][CH2:27]3)[cH:24]2)[n:18]1.[ClH:1].[F:2][c:3]1[cH:4][n:5][c:6]([CH:9]([CH3:10])[NH2:11])[n:7][cH:8]1>>[F:2][c:3]1[cH:4][n:5][c:6]([CH:9]([CH3:10])[NH:11][c:13]2[n:14][cH:15][c:16]([N+:28](=[O:29])[O-:30])[c:17]([NH:19][c:20]3[n:21][nH:22][c:23]([CH:25]4[CH2:26][CH2:27]4)[cH:24]3)[n:18]2)[n:7][cH:8]1Participants
6
Sources & evidence
- ORD record
- ord-921632ed118f41578efa8b56defa24d8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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